BDBM20800 2-amino-6-halopurine analogue, 20::6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine::CHEMBL467399::hsp90_107

SMILES Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N

InChI Key InChIKey=QULDDKSCVCJTPV-UHFFFAOYSA-N

Data  8 KI  17 IC50  3 Kd  2 EC50

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 20800   

TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataEC50:  30nMpH: 7.2 T: 2°CAssay Description:EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/17/2008
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataIC50: 30nMAssay Description:Inhibition of Hsp90 assessed as Her2 degradation by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataIC50: 38nMAssay Description:Inhibition of HSP90-mediated client protein HER2 degradation in human MCF7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataIC50: 7nMAssay Description:Inhibition of HSP90-mediated client protein HER2 degradationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataIC50: 140nMAssay Description:Binding affinity to Hsp90 nucleotide binding domain in human BT474 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataKd:  1.70nMAssay Description:Binding affinity to Hsp90 nucleotide binding domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataIC50: 15.6nMAssay Description:FRET Assay 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2017
Entry Details
D3R
PDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataKi:  1.70nMAssay Description:Binding affinity to HSP90 by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataKi:  13nMAssay Description:Binding affinity to HSP90 under reducing conditions in presence of TECPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataKi:  26nMAssay Description:Binding affinity to HSP90 under non-reducing conditions in absence of TECPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)